4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate

C84H61Cl3F11I2N15O15 — CID 159767256

IUPAC4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate
SMILESC#Cc1ccc(-c2nc(N)c(OC)c(C(=O)OC)n2)c(F)c1F.C=Cc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)c(F)c2)c(F)c1N.COC(=O)c1nc(-c2ccc(C#N)cc2)c(C)c(N)c1Cl.COC(=O)c1nc(-c2ccc(OC(F)F)cc2)c(F)c(N)c1Cl.COc1c(N)nc(-c2ccc(I)cc2)nc1C(=O)O.Cc1c(-c2ccc(I)c(F)c2)nc(C(=O)O)c(Cl)c1N
InChIInChI=1S/C15H12ClN3O2.C15H9F5N2O2.C15H11F2N3O3.C14H10ClF3N2O3.C13H9ClFIN2O2.C12H10IN3O3/c1-8-12(18)11(16)14(15(20)21-2)19-13(8)10-5-3-9(7-17)4-6-10;1-2-7-11(21)10(17)12(22-13(7)14(23)24)6-3-4-8(9(16)5-6)15(18,19)20;1-4-7-5-6-8(10(17)9(7)16)14-19-11(15(21)23-3)12(22-2)13(18)20-14;1-22-13(21)12-8(15)10(19)9(16)11(20-12)6-2-4-7(5-3-6)23-14(17)18;1-5-10(17)9(14)12(13(19)20)18-11(5)6-2-3-8(16)7(15)4-6;1-19-9-8(12(17)18)15-11(16-10(9)14)6-2-4-7(13)5-3-6/h3-6H,1-2H3,(H2,18,19);2-5H,1H2,(H2,21,22)(H,23,24);1,5-6H,2-3H3,(H2,18,19,20);2-5,14H,1H3,(H2,19,20);2-4H,1H3,(H2,17,18)(H,19,20);2-5H,1H3,(H,17,18)(H2,14,15,16)
InChIKeyNFQVKSLWAURWPO-UHFFFAOYSA-N
MW2089.65 g/mol
LogP17.98
Rot. Bonds17

About 4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate

4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate (PubChem CID 159767256) has the molecular formula C84H61Cl3F11I2N15O15 and a molecular weight of 2089.65 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Name4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate
PubChem CID159767256
Molecular FormulaC84H61Cl3F11I2N15O15
Molecular Weight2089.65 g/mol
Exact Mass2087.15
IUPAC Name4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate
SMILESC#Cc1ccc(-c2nc(N)c(OC)c(C(=O)OC)n2)c(F)c1F.C=Cc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)c(F)c2)c(F)c1N.COC(=O)c1nc(-c2ccc(C#N)cc2)c(C)c(N)c1Cl.COC(=O)c1nc(-c2ccc(OC(F)F)cc2)c(F)c(N)c1Cl.COc1c(N)nc(-c2ccc(I)cc2)nc1C(=O)O.Cc1c(-c2ccc(I)c(F)c2)nc(C(=O)O)c(Cl)c1N
InChIInChI=1S/C15H12ClN3O2.C15H9F5N2O2.C15H11F2N3O3.C14H10ClF3N2O3.C13H9ClFIN2O2.C12H10IN3O3/c1-8-12(18)11(16)14(15(20)21-2)19-13(8)10-5-3-9(7-17)4-6-10;1-2-7-11(21)10(17)12(22-13(7)14(23)24)6-3-4-8(9(16)5-6)15(18,19)20;1-4-7-5-6-8(10(17)9(7)16)14-19-11(15(21)23-3)12(22-2)13(18)20-14;1-22-13(21)12-8(15)10(19)9(16)11(20-12)6-2-4-7(5-3-6)23-14(17)18;1-5-10(17)9(14)12(13(19)20)18-11(5)6-2-3-8(16)7(15)4-6;1-19-9-8(12(17)18)15-11(16-10(9)14)6-2-4-7(13)5-3-6/h3-6H,1-2H3,(H2,18,19);2-5H,1H2,(H2,21,22)(H,23,24);1,5-6H,2-3H3,(H2,18,19,20);2-5,14H,1H3,(H2,19,20);2-4H,1H3,(H2,17,18)(H,19,20);2-5H,1H3,(H,17,18)(H2,14,15,16)
InChIKeyNFQVKSLWAURWPO-UHFFFAOYSA-N
XLogP17.98
TPSA501.52 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002089.65
LogP ≤ 517.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate?
The IUPAC name of 4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate (CID 159767256) is 4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate.
What is the SMILES notation for 4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate?
The canonical SMILES for 4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate is C#Cc1ccc(-c2nc(N)c(OC)c(C(=O)OC)n2)c(F)c1F.C=Cc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)c(F)c2)c(F)c1N.COC(=O)c1nc(-c2ccc(C#N)cc2)c(C)c(N)c1Cl.COC(=O)c1nc(-c2ccc(OC(F)F)cc2)c(F)c(N)c1Cl.COc1c(N)nc(-c2ccc(I)cc2)nc1C(=O)O.Cc1c(-c2ccc(I)c(F)c2)nc(C(=O)O)c(Cl)c1N.
What is the InChIKey of 4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate?
The InChIKey is NFQVKSLWAURWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2.C15H9F5N2O2.C15H11F2N3O3.C14H10ClF3N2O3.C13H9ClFIN2O2.C12H10IN3O3/c1-8-12(18)11(16)14(15(20)21-2)19-13(8)10-5-3-9(7-17)4-6-10;1-2-7-11(21)10(17)12(22-13(7)14(23)24)6-3-4-8(9(16)5-6)15(18,19)20;1-4-7-5-6-8(10(17)9(7)16)14-19-11(15(21)23-3)12(22-2)13(18)20-14;1-22-13(21)12-8(15)10(19)9(16)11(20-12)6-2-4-7(5-3-6)23-14(17)18;1-5-10(17)9(14)12(13(19)20)18-11(5)6-2-3-8(16)7(15)4-6;1-19-9-8(12(17)18)15-11(16-10(9)14)6-2-4-7(13)5-3-6/h3-6H,1-2H3,(H2,18,19);2-5H,1H2,(H2,21,22)(H,23,24);1,5-6H,2-3H3,(H2,18,19,20);2-5,14H,1H3,(H2,19,20);2-4H,1H3,(H2,17,18)(H,19,20);2-5H,1H3,(H,17,18)(H2,14,15,16).
What are the key properties of 4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate?
4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate has a molecular weight of 2089.65 g/mol, XLogP of 17.98, 17 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(3-fluoro-4-iodophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-ethenyl-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;6-amino-2-(4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-(4-ethynyl-2,3-difluorophenyl)-5-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 159767256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).